2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol

C18H29NO3 — CID 167886758

IUPAC2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol
SMILESCCc1ccc(C(COC)NCC2(O)CC3CCC2CC3)o1
InChIInChI=1S/C18H29NO3/c1-3-15-8-9-17(22-15)16(11-21-2)19-12-18(20)10-13-4-6-14(18)7-5-13/h8-9,13-14,16,19-20H,3-7,10-12H2,1-2H3
InChIKeyINOZZEWIKMJENP-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.06
Rot. Bonds7

About 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol

2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol (PubChem CID 167886758) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol
PubChem CID167886758
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol
SMILESCCc1ccc(C(COC)NCC2(O)CC3CCC2CC3)o1
InChIInChI=1S/C18H29NO3/c1-3-15-8-9-17(22-15)16(11-21-2)19-12-18(20)10-13-4-6-14(18)7-5-13/h8-9,13-14,16,19-20H,3-7,10-12H2,1-2H3
InChIKeyINOZZEWIKMJENP-UHFFFAOYSA-N
XLogP3.06
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol?
The IUPAC name of 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol (CID 167886758) is 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol is CCc1ccc(C(COC)NCC2(O)CC3CCC2CC3)o1.
What is the InChIKey of 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol?
The InChIKey is INOZZEWIKMJENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-3-15-8-9-17(22-15)16(11-21-2)19-12-18(20)10-13-4-6-14(18)7-5-13/h8-9,13-14,16,19-20H,3-7,10-12H2,1-2H3.
What are the key properties of 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol?
2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol has a molecular weight of 307.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 167886758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).